CID 59824670

4-carbamoylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=C(C(=CO1)C(=O)O)C(=O)N
InChI
InChI=1S/C6H5NO4/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChIKey
NLWZORAXDVWHPX-UHFFFAOYSA-N
Compound name
4-carbamoylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

155.02185 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 129.3
[M+Na]+ 178.01107 137.9
[M+NH4]+ 173.05567 135.4
[M+K]+ 193.98501 137.8
[M-H]- 154.01457 129.7
[M+Na-2H]- 175.99652 131.9
[M]+ 155.02130 130.1
[M]- 155.02240 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe